ChemSpider 2D Image | 1-O-{[(1R,2S,4aS,6aS,12aR)-10-{[2-O-(6-Deoxy-beta-D-gulopyranosyl)-alpha-L-lyxopyranosyl]oxy}-1-hydroxy-1,2,6a,9,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)- picenyl]carbonyl}-beta-D-glucopyranose | C46H74O17

1-O-{[(1R,2S,4aS,6aS,12aR)-10-{[2-O-(6-Deoxy-β-D-gulopyranosyl)-α-L-lyxopyranosyl]oxy}-1-hydroxy-1,2,6a,9,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)- picenyl]carbonyl}-β-D-glucopyranose

  • Molecular FormulaC46H74O17
  • Average mass899.070 Da
  • Monoisotopic mass898.492615 Da
  • ChemSpider ID10142490

  • defined stereocentres - 19 of 24 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-O-{[(1R,2S,4aS,6aS,12aR)-10-{[2-O-(6-Deoxy-β-D-gulopyranosyl)-α-L-lyxopyranosyl]oxy}-1-hydroxy-1,2,6a,9,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)- picenyl]carbonyl}-β-D-glucopyranose [ACD/IUPAC Name]
1-O-{[(1R,2S,4aS,6aS,12aR)-10-{[2-O-(6-Desoxy-β-D-gulopyranosyl)-α-L-lyxopyranosyl]oxy}-1-hydroxy-1,2,6a,9,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H) -picenyl]carbonyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-{[(1R,2S,4aS,6aS,12aR)-10-{[2-O-(6-Désoxy-β-D-gulopyranosyl)-α-L-lyxopyranosyl]oxy}-1-hydroxy-1,2,6a,9,9,12a-hexaméthyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadécahydro-4a(2H) -picényl]carbonyl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[[(1R,2S,4aS,6aS,12aR)-10-[[2-O-(6-deoxy-β-D-gulopyranosyl)-α-L-lyxopyranosyl]oxy]-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-1-hydroxy-1,2,6a,9,9, 12a-hexamethyl-4a(2H)-picenyl]carbonyl]- [ACD/Index Name]
Latifoloside D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 961.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.8±6.0 kJ/mol
Flash Point: 275.6±27.8 °C
Index of Refraction: 1.621
Molar Refractivity: 223.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1158.31
ACD/KOC (pH 5.5): 5425.10
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1158.31
ACD/KOC (pH 7.4): 5425.07
Polar Surface Area: 275 Å2
Polarizability: 88.8±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 636.9±5.0 cm3

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